[4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate

Systemtic Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Openeye Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[5-(4-ethylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C27H30N2O3/c1-3-19-5-7-20(8-6-19)23-17-28-26(29-18-23)21-9-15-25(16-10-21)32-27(30)22-11-13-24(14-12-22)31-4-2/h9-20H,3-8H2,1-2H3